Enhancing the utility of ¹: J <inf>CH</inf> coupling constants in structural studies through optimized DFT analysis

Keyphrases

• B3LYP/6-31G(d,p) 50%
• Cc-pVTZ 50%
• Conformational Analysis 50%
• Correction Factor 50%
• Coupled Calculation 50%
• Coupling Constant 100%
• Coupling Prediction 50%
• DFT Analysis 100%
• DFT Method 100%
• Diterpenes 50%
• Empirical Scaling 50%
• Experimental Values 50%
• Geometry Optimization 50%
• Highly Accurate 50%
• J-coupling 50%
• Natural Products 50%
• Stereochemical Analysis 50%
• Trachylobane 50%

Biochemistry, Genetics and Molecular Biology

• Strychnine 100%

Chemistry

• Strychnine 33%